5-amino-1,3-dimethylpyrazole-4-carbothioamide

C6H10N4S — CID 13496613

IUPAC5-amino-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(N)c1C(N)=S
InChIInChI=1S/C6H10N4S/c1-3-4(6(8)11)5(7)10(2)9-3/h7H2,1-2H3,(H2,8,11)
InChIKeyNXLLTJNOUNLXKH-UHFFFAOYSA-N
MW170.24 g/mol
LogP-0.06
Rot. Bonds1

About 5-amino-1,3-dimethylpyrazole-4-carbothioamide

5-amino-1,3-dimethylpyrazole-4-carbothioamide (PubChem CID 13496613) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-amino-1,3-dimethylpyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-amino-1,3-dimethylpyrazole-4-carbothioamide
PubChem CID13496613
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name5-amino-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(N)c1C(N)=S
InChIInChI=1S/C6H10N4S/c1-3-4(6(8)11)5(7)10(2)9-3/h7H2,1-2H3,(H2,8,11)
InChIKeyNXLLTJNOUNLXKH-UHFFFAOYSA-N
XLogP-0.06
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 219870
2-Methyl-2,6-dihydro-4H-thieno(3,4-c)pyrazol-3-amine
CID 45121297
2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
3-amino-1,5-dimethyl-1H-pyrazole-4-carbonitrile
CID 22222305
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine
CID 6484241
5-Amino-1-methylpyrazole-3,4-dicarbonitrile
CID 21724028
5-hydrazinyl-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 63758871
[(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile
CID 597716
4-Fluoro-1,3-dimethyl-1H-pyrazol-5-amine
CID 86126002
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032
[2,5-Dimethyl-4-(trifluoromethyl)pyrazol-3-yl]diazene
CID 123741441

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethylpyrazole-4-carbothioamide?
The IUPAC name of 5-amino-1,3-dimethylpyrazole-4-carbothioamide (CID 13496613) is 5-amino-1,3-dimethylpyrazole-4-carbothioamide.
What is the SMILES notation for 5-amino-1,3-dimethylpyrazole-4-carbothioamide?
The canonical SMILES for 5-amino-1,3-dimethylpyrazole-4-carbothioamide is Cc1nn(C)c(N)c1C(N)=S.
What is the InChIKey of 5-amino-1,3-dimethylpyrazole-4-carbothioamide?
The InChIKey is NXLLTJNOUNLXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-3-4(6(8)11)5(7)10(2)9-3/h7H2,1-2H3,(H2,8,11).
What are the key properties of 5-amino-1,3-dimethylpyrazole-4-carbothioamide?
5-amino-1,3-dimethylpyrazole-4-carbothioamide has a molecular weight of 170.24 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethylpyrazole-4-carbothioamide is sourced from PubChem (CID 13496613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).